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3-Fluoro-4-hydroxy-benzoic acid methyl ester, with the molecular formula C8H7FO3, is a methyl ester derivative of 3-fluoro-4-hydroxybenzoic acid. It is a drug intermediate that plays a crucial role in the synthesis of pharmaceuticals. This chemical compound is known for its potential therapeutic properties, such as anti-inflammatory and analgesic effects, making it a valuable component in the development of various medications.

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  • 403-01-0 Structure
  • Basic information

    1. Product Name: 3-FLUORO-4-HYDROXY-BENZOIC ACID METHYL ESTER
    2. Synonyms: 3-FLUORO-4-HYDROXY-BENZOIC ACID METHYL ESTER;METHYL 3-FLUORO-4-HYDROXYBENZOATE;RARECHEM AL BF 0259;Fluoro-4-hydroxybenzoate
    3. CAS NO:403-01-0
    4. Molecular Formula: C8H7FO3
    5. Molecular Weight: 170.14
    6. EINECS: N/A
    7. Product Categories: blocks;Carboxes;FluoroCompounds;pharmacetical
    8. Mol File: 403-01-0.mol
  • Chemical Properties

    1. Melting Point: 91-93℃
    2. Boiling Point: 259.9±25.0℃ (760 Torr)
    3. Flash Point: 111.0±23.2℃
    4. Appearance: /Solid
    5. Density: 1.309±0.06 g/cm3 (20 ºC 760 Torr)
    6. Vapor Pressure: 0.0078mmHg at 25°C
    7. Refractive Index: 1.526
    8. Storage Temp.: Sealed in dry,Room Temperature
    9. Solubility: N/A
    10. PKA: 7.10±0.18(Predicted)
    11. CAS DataBase Reference: 3-FLUORO-4-HYDROXY-BENZOIC ACID METHYL ESTER(CAS DataBase Reference)
    12. NIST Chemistry Reference: 3-FLUORO-4-HYDROXY-BENZOIC ACID METHYL ESTER(403-01-0)
    13. EPA Substance Registry System: 3-FLUORO-4-HYDROXY-BENZOIC ACID METHYL ESTER(403-01-0)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 403-01-0(Hazardous Substances Data)

403-01-0 Usage

Uses

Used in Pharmaceutical Industry:
3-Fluoro-4-hydroxy-benzoic acid methyl ester is used as a drug intermediate for the synthesis of pharmaceuticals, leveraging its potential therapeutic properties. Its anti-inflammatory and analgesic effects contribute to the development of medications aimed at treating pain and inflammation.
Used in Medicinal Chemistry:
As a building block in the synthesis of various pharmaceutical compounds, 3-Fluoro-4-hydroxy-benzoic acid methyl ester is utilized in medicinal chemistry to create new and innovative drugs. Its unique structure allows for the exploration of its potential in treating a range of medical conditions.
However, it is essential to handle 3-Fluoro-4-hydroxy-benzoic acid methyl ester with caution due to its potential health and environmental risks if not properly managed. Proper safety measures and guidelines should be followed to minimize any adverse effects associated with this chemical compound.

Check Digit Verification of cas no

The CAS Registry Mumber 403-01-0 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 4,0 and 3 respectively; the second part has 2 digits, 0 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 403-01:
(5*4)+(4*0)+(3*3)+(2*0)+(1*1)=30
30 % 10 = 0
So 403-01-0 is a valid CAS Registry Number.
InChI:InChI=1/C8H7FO3/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4,10H,1H3

403-01-0 Well-known Company Product Price

  • Brand
  • (Code)Product description
  • CAS number
  • Packaging
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  • Detail
  • Alfa Aesar

  • (H61219)  Methyl 3-fluoro-4-hydroxybenzoate, 98%   

  • 403-01-0

  • 250mg

  • 256.0CNY

  • Detail
  • Alfa Aesar

  • (H61219)  Methyl 3-fluoro-4-hydroxybenzoate, 98%   

  • 403-01-0

  • 1g

  • 764.0CNY

  • Detail
  • Alfa Aesar

  • (H61219)  Methyl 3-fluoro-4-hydroxybenzoate, 98%   

  • 403-01-0

  • 5g

  • 3060.0CNY

  • Detail

403-01-0SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name Methyl 3-fluoro-4-hydroxybenzoate

1.2 Other means of identification

Product number -
Other names methyl 3-fluoro-4-hydroxybenzoate

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:403-01-0 SDS

403-01-0Relevant articles and documents

TROPOLONE DERIVATIVES AND TAUTOMERS THEREOF FOR IRON REGULATION IN ANIMALS

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Page/Page column 144, (2021/04/23)

Disclosed are a series of compounds or their tautomers having a general structure represented by Formula la or lb and pharmaceutically acceptable salts thereof. Also disclosed are pharmaceutical compositions comprising said compounds or tautomers or pharmaceutically acceptable salts thereof. Further disclosure relates to a method of treating a disease or condition associated with iron dysregulation or dysfunctional iron homeostasis, comprising administering to a subject in need thereof a therapeutically effective amount of Formula la or lb compounds or tautomers or pharmaceutically acceptable salts thereof.

Sequential Ir/Cu-Mediated Method for the Meta-Selective C-H Radiofluorination of (Hetero)Arenes

Wright, Jay S.,Sharninghausen, Liam S.,Preshlock, Sean,Brooks, Allen F.,Sanford, Melanie S.,Scott, Peter J. H.

supporting information, p. 6915 - 6921 (2021/05/29)

This article describes a sequential Ir/Cu-mediated process for the meta-selective C-H radiofluorination of (hetero)arene substrates. In the first step, Ir-catalyzed C(sp2)-H borylation affords (hetero)aryl pinacolboronate (BPin) esters. The intermediate organoboronates are then directly subjected to copper-mediated radiofluorination with [18F]tetrabutylammonium fluoride to afford fluorine-18 labeled (hetero)arenes in high radiochemical yield and radiochemical purity. This entire process is performed on a benchtop without Schlenk or glovebox techniques and circumvents the need to isolate (hetero)aryl boronate esters. The reaction was automated on a TracerLab FXFN module with 1,3-dimethoxybenzene and a meta-tyrosine derivative. The products, [18F]1-fluoro-3,5-dimethoxybenzene and an 18F-labeled meta-tyrosine derivative, were obtained in 37 ± 5% isolated radiochemical yield and >99% radiochemical purity and 25% isolated radiochemical yield and 99% radiochemical purity, and 0.52 Ci/μmol (19.24 GBq/μmol) molar activity (Am), respectively.

Phenol compound ortho-position direct fluorination method

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Paragraph 0073-0075, (2020/04/17)

The invention relates to a phenol compound ortho-position direct fluorination method which comprises the following steps: reacting a phenol compound shown in a formula (1A) with a fluorination reagentin a solvent under the action of a photocatalyst and a light source at room temperature, and separating and purifying a reaction mixture after the reaction to obtain a fluorinated phenol compound shown in a formula (2A). The advantages are as follows: the method for directly fluorinating phenol by organic photocatalysis is simple in operation process; raw materials are commercialized and easy toobtain; the photocatalyst is low in price, easy to obtain and environmentally friendly; the reaction condition is mild; the site selectivity is high; the reaction is efficient; and a fluorinated phenol derivative can be prepared only through one step.

Synthesis and Mesomorphic Properties of Novel Bent-shaped Naphthyl Diketones

Buljan, An?ela,Kne?evi?, Anamarija,Dokli, Irena,Lesac, Andreja

, p. 173 - 179 (2019/12/12)

The synthesis and liquid-crystalline properties are reported for novel naphthyl-based diketones incorporating variant terminal chains and lateral fluoro- substitution. Newly prepared materials exhibit a broad temperature range of the nematic phase. The study demonstrates how subtle structural modifications can be exploited to alter the efficiency of molecular packing and consequently the thermal behaviour.

Compositions and methods for treating cancer

-

Paragraph 0219; 0228, (2019/10/16)

The invention provides a protected anti-neoplastic agent of the formula Hyp-N, wherein N is an anti-neoplastic agent and a protectable hydroxyl group of the anti-neoplastic is substituted with Hyp; Hyp is a moiety having the formula: wherein R 2 is hydrogen; R 3 is hydrogen or C 1 -C 6 alkyl; R 1 is C 1 -C 6 alkyl or C 1 -C 6 alkoxy, optionally substituted with one or more heteroatom-containing groups; and R 4 is hydrogen, C 1 -C 6 alkyl, or C 1 -C 6 alkoxy, optionally substituted with one or more heteroatom-containing groups.

Photoinduced Hydroxylation of Organic Halides under Mild Conditions

Cai, Yue-Ming,Xu, Yu-Ting,Zhang, Xin,Gao, Wen-Xia,Huang, Xiao-Bo,Zhou, Yun-Bing,Liu, Miao-Chang,Wu, Hua-Yue

supporting information, p. 8479 - 8484 (2019/10/16)

Presented in this paper is photoinduced hydroxylation of organic halides, providing a mild access to a range of functionalized phenols and aliphatic alcohols. These reactions generally proceed under mild reaction conditions with no need for a photocatalyst or a strong base and show a wide substrate scope as well as excellent functional group tolerance. This work highlights the unique role of NaI that allows a challenging transformation to proceed under mild reaction conditions.

Imidazole-containing condensed tricyclic compound and application thereof

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Paragraph 0140, (2018/03/01)

The invention discloses an imidazole-containing condensed tricyclic compound adopting the structure as shown in the formula (I) or pharmaceutically acceptable salts, stereisomers or prodrug molecules thereof. The imidazole-containing condensed tricyclic compound has the IDO1 activity regulation function, can enhance T-cell activation through blocking immune checkpoints IDO1, is used for treating IDO1-mediated immunosuppression, and therefore, can become an effective medicine for treating malignant tumors. When used together with checkpoint protein anti-body drugs or other anti-cancer drugs, the imidazole-containing condensed tricyclic compound can enhance the anti-cancer effect. Meanwhile, the imidazole-containing condensed tricyclic compound has the potential of effectively treating IDO1 abnormity related immunosuppressive diseases and has a high application value.

1,2,3,5-TETRAHYDROIMIDAZO[1,2-C]PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF DISEASES AND DISORDERS MEDIATED BY LP-PLA2

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Page/Page column 40, (2016/02/18)

The present invention relates to novel compounds that inhibit Lp‐PLA2 activity, processes for their preparation, to compositions containing them and to their use in the treatment of diseases or disorders associated with the activity of Lp‐PLAs

Novel fluorinated ferroelectric organosiloxane liquid crystals

Zoghaib,Carboni,George,Al-Manthari,Al-Hussaini,Al-Futaisi

scheme or table, p. 123 - 131 (2012/01/12)

A progress report on the synthesis and characterisation of a series of fluorinated chiral bi-mesogen low molar mass organosiloxane materials is presented. The mesogenic moiety is identical to that in the TSiKN65F mono-mesogen material reported by Naciri et al., which displays a de Vries-type SmA* phase. The parameter varied across the series is the length of the alkyl chain linking the mesogen moiety to the siloxane. The material with 10 carbon atoms in the chains displays a stable smectic phase with ferroelectric response at room temperature, whereas the materials with 6, 7 and 8 carbon atoms tend to crystallize. Copyright Taylor & Francis Group, LLC.

SPIROCYCLIC GPR40 MODULATORS

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Page/Page column 155, (2010/04/30)

The present invention provides compounds useful, for example, for treating metabolic disorders in a subject. Such compounds have the general formula IA, IB, I'A or I'B, where the definitions of the variables are provided herein. The present invention also

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